N-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine

C13H24N4OS — CID 79663370

IUPACN-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)N1CCOC(c2nsc(NC(C)(C)C)n2)C1
InChIInChI=1S/C13H24N4OS/c1-9(2)17-6-7-18-10(8-17)11-14-12(19-16-11)15-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyHTCCBWKWGGXCDB-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.53
Rot. Bonds3

About N-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine

N-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 79663370) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is N-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID79663370
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC NameN-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)N1CCOC(c2nsc(NC(C)(C)C)n2)C1
InChIInChI=1S/C13H24N4OS/c1-9(2)17-6-7-18-10(8-17)11-14-12(19-16-11)15-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyHTCCBWKWGGXCDB-UHFFFAOYSA-N
XLogP2.53
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
CID 79663860
N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79657199
N-ethyl-3-(4-ethylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
CID 79669066
2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798084
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446
2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine
CID 79657822
2-methyl-4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79657510
N-cyclopropyl-3-(4-methylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine
CID 79085205
N-ethyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-amine
CID 79663349
4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine
CID 112688094
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79657430
4-(4-propan-2-ylmorpholin-2-yl)-1,3,5-triazin-2-amine
CID 79663164

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine (CID 79663370) is N-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine is CC(C)N1CCOC(c2nsc(NC(C)(C)C)n2)C1.
What is the InChIKey of N-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HTCCBWKWGGXCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-9(2)17-6-7-18-10(8-17)11-14-12(19-16-11)15-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,15,16).
What are the key properties of N-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine?
N-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 284.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79663370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).